(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C15H21FO5 — CID 18597871

IUPAC(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccoc1F
InChIInChI=1S/C15H21FO5/c1-4-5-10-11(18-8-9-6-7-17-13(9)16)12-14(19-10)21-15(2,3)20-12/h6-7,10-12,14H,4-5,8H2,1-3H3/t10-,11+,12-,14-/m1/s1
InChIKeyHXXHCQUXXJYBDI-GFQSEFKGSA-N
MW300.33 g/mol
LogP2.98
Rot. Bonds5

About (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 18597871) has the molecular formula C15H21FO5 and a molecular weight of 300.33 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID18597871
Molecular FormulaC15H21FO5
Molecular Weight300.33 g/mol
Exact Mass300.14
IUPAC Name(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccoc1F
InChIInChI=1S/C15H21FO5/c1-4-5-10-11(18-8-9-6-7-17-13(9)16)12-14(19-10)21-15(2,3)20-12/h6-7,10-12,14H,4-5,8H2,1-3H3/t10-,11+,12-,14-/m1/s1
InChIKeyHXXHCQUXXJYBDI-GFQSEFKGSA-N
XLogP2.98
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole with MolForge

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Related Compounds

(3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597753
(3aR,5R,6S,6aR)-2-(fluoromethyl)-2-methyl-5-propyl-6-(thiophen-3-ylmethoxy)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597766
(3aR,5R,6S,6aR)-6-[(2-chlorophenyl)methoxy]-2,2-dimethyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 22825519
(3aS,5R,6S)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 59426783
1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-hydroxypropan-2-one
CID 139464702
3-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]propanenitrile
CID 10415501
(3aR,5R,6S,6aR)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597849
[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl trifluoromethanesulfonate
CID 11004172
[(3aS,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl trifluoromethanesulfonate
CID 102233412
(3aR,5R,6S,6aR)-5-ethyl-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597755
[(3aR,5R,6R,6aR)-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 138598865
hexyl-[[6-[6-[[5-[[hexyl(dimethyl)azaniumyl]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]hexoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-dimethylazanium
CID 122398853

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 18597871) is (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CCC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccoc1F.
What is the InChIKey of (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is HXXHCQUXXJYBDI-GFQSEFKGSA-N. The full InChI is InChI=1S/C15H21FO5/c1-4-5-10-11(18-8-9-6-7-17-13(9)16)12-14(19-10)21-15(2,3)20-12/h6-7,10-12,14H,4-5,8H2,1-3H3/t10-,11+,12-,14-/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 300.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 18597871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).